Compound Detail

CHEMBL2370372

PHYSALAEMIN

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CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCC(=O)N1)c1ccc(O)cc1)C(N)=O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL2370372
Name	PHYSALAEMIN
Phase	Preclinical
Structure Type	BOTH
InChI Key	DWJQXHDZXPBDHE-NTXPVDGVSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

1251.4

MW (Da)

Drug Information

Molecule Type	Protein
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C57H82N14O16S
MW	1251.43

Activity Summary

EC50 1 meas. best 8.47

IC50 1 meas. best 5.81

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Neuromedin-K receptor CHEMBL4429	EC50	8.47	8.47	3.4	1
Neuromedin-K receptor CHEMBL4429	IC50	5.81	5.81	1550.0	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Neuromedin-K receptor	EC50	=	3.36	nM	8.47	Agonist activity at NK3R (unknown origin) transfected in CHO cells assessed as c...	23473945
Neuromedin-K receptor	IC50	=	1550.0	nM	5.81	Displacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected...	23473945

Literature References

PubMed	DOI	Target Context	# Activities
6182294	10.1021/jm00351a001	Rattus norvegicus	3
6182294	10.1021/jm00351a001	Cavia porcellus	2
23473945	10.1016/j.bmc.2013.01.036	Neuromedin-K receptor	2
6182294	10.1021/jm00351a001	Cricetinae gen. sp.	1
6182294	10.1021/jm00351a001	Substance-P receptor	1
23473945	10.1016/j.bmc.2013.01.036	Substance-K receptor	1
23473945	10.1016/j.bmc.2013.01.036	Substance-P receptor	1

Data from ChEMBL 36 via Core Engine